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canSAR838232
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NAMES
    SMILES
    CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3sccc3c2)cn1
    InChI
    InChI=1S/C18H18N4S/c1-21-10-16-7-15(21)11-22(16)18-19-8-14(9-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,15-16H,7,10-11H2,1H3/t15-,16-/m0/s1
    MOLECULAR FORMULA
    C18H18N4S
    CROSS REFERENCES
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    canSAR838232

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 322.13
    AlogP 3.25
    HBond donors 0
    HBond acceptors 4
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR838232.